6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine

C21H28N4O2 — CID 112875064

IUPAC6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
SMILESCc1cc(C)c(Nc2cc(N3CCC4(CC3)OCCO4)nc(C)n2)c(C)c1
InChIInChI=1S/C21H28N4O2/c1-14-11-15(2)20(16(3)12-14)24-18-13-19(23-17(4)22-18)25-7-5-21(6-8-25)26-9-10-27-21/h11-13H,5-10H2,1-4H3,(H,22,23,24)
InChIKeyFRKZHMUPYXHPGR-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.80
Rot. Bonds3

About 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine

6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine (PubChem CID 112875064) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
PubChem CID112875064
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
SMILESCc1cc(C)c(Nc2cc(N3CCC4(CC3)OCCO4)nc(C)n2)c(C)c1
InChIInChI=1S/C21H28N4O2/c1-14-11-15(2)20(16(3)12-14)24-18-13-19(23-17(4)22-18)25-7-5-21(6-8-25)26-9-10-27-21/h11-13H,5-10H2,1-4H3,(H,22,23,24)
InChIKeyFRKZHMUPYXHPGR-UHFFFAOYSA-N
XLogP3.80
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 112875048
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethyl-6-methylphenyl)-2-methylpyrimidin-4-amine
CID 112875061
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine
CID 112875066
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 112875084
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112897507
2-methyl-6-(4-methylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112869240
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidin-4-amine
CID 112872329
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyridine-4-carbonitrile
CID 114768261
6-morpholin-4-yl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112857101
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)methanone
CID 109365378
2,4,6-trimethyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 46268127
8-(2,4-dimethylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 10610507

Frequently Asked Questions

What is the IUPAC name of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine?
The IUPAC name of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine (CID 112875064) is 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine is Cc1cc(C)c(Nc2cc(N3CCC4(CC3)OCCO4)nc(C)n2)c(C)c1.
What is the InChIKey of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine?
The InChIKey is FRKZHMUPYXHPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-14-11-15(2)20(16(3)12-14)24-18-13-19(23-17(4)22-18)25-7-5-21(6-8-25)26-9-10-27-21/h11-13H,5-10H2,1-4H3,(H,22,23,24).
What are the key properties of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine?
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine has a molecular weight of 368.48 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 112875064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).